CID 3050220

Methanone, phenyl(4-(3-(4-phenyl-1-piperazinyl)propoxy)phenyl)-

Structural Information

Molecular Formula
C26H28N2O2
SMILES
C1CN(CCN1CCCOC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H28N2O2/c29-26(22-8-3-1-4-9-22)23-12-14-25(15-13-23)30-21-7-16-27-17-19-28(20-18-27)24-10-5-2-6-11-24/h1-6,8-15H,7,16-21H2
InChIKey
LJQXYQIMWLFFDL-UHFFFAOYSA-N
Compound name
phenyl-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.2151 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.222376 200.2
[M+Na]+ 423.204318 202.2
[M-H]- 399.207824 207.7
[M+NH4]+ 418.248923 206.3
[M+K]+ 439.178258 195.5
[M+H-H2O]+ 383.212360 186.5
[M+HCOO]- 445.213301 215.0
[M+CH3COO]- 459.228951 206.7
[M+Na-2H]- 421.189766 200.9
[M]+ 400.21455142 196.2
[M]- 400.21564858 196.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.